3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
Formula:C14H7N2O2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H7N2O2F5 |
| Smiles | Oc1cccc(C(N/N=C\c(c(F)c(c(F)c2F)F)c2F)=O)c1 |
| InChI | InChI=1S/C14H7F5N2O2/c15-9-8(10(16)12(18)13(19)11(9)17)5-20-21-14(23)6-2-1-3-7(22)4-6/h1-5,22H,(H,21,23) |
| InChIK | OMDVTWBKLCPGJI-UHFFFAOYSA-N |
| TotalMolweight | 330.212 |
| Molweight | 330.212 |
| MonoisotopicMass | 330.042768 |
| CLogP | 3.3599 |
| CLogS | -4.995 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 225.09 |
| Relative PSA | 0.21818 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.0804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide | 2 - 3-hydroxy-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
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